4-[({3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
4-[({3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5643 |
| Compound Name: | 4-[({3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 388.87 |
| Molecular Formula: | C18 H17 Cl N4 O2 S |
| Smiles: | Cc1cc(ccc1OCc1cc(/C=N/n2cnnc2S)ccc1OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9429 |
| logD: | 3.8996 |
| logSw: | -4.5539 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.332 |
| InChI Key: | SFSQOSUBWCEPJM-UHFFFAOYSA-N |